2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide

C12H14N6 — CID 107550165

IUPAC2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)Cc2cccnc2)n1
InChIInChI=1S/C12H14N6/c1-18(8-9-3-2-5-15-7-9)12-16-6-4-10(17-12)11(13)14/h2-7H,8H2,1H3,(H3,13,14)
InChIKeyYOKGOOWCGXUKNE-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.79
Rot. Bonds4

About 2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide

2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide (PubChem CID 107550165) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide
PubChem CID107550165
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)Cc2cccnc2)n1
InChIInChI=1S/C12H14N6/c1-18(8-9-3-2-5-15-7-9)12-16-6-4-10(17-12)11(13)14/h2-7H,8H2,1H3,(H3,13,14)
InChIKeyYOKGOOWCGXUKNE-UHFFFAOYSA-N
XLogP0.79
TPSA91.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550273
3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684033
6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carboximidamide
CID 43563471
2-[benzyl(ethyl)amino]pyrimidine-4-carboximidamide
CID 107550123
3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 54933735
4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 50959733
2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-4-carboximidamide
CID 107550563
2-bromo-3-fluoro-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 107536326
5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 83186045
2-[benzyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906340
N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350
5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63290756

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide?
The IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide (CID 107550165) is 2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide?
The canonical SMILES for 2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(C)Cc2cccnc2)n1.
What is the InChIKey of 2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide?
The InChIKey is YOKGOOWCGXUKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-18(8-9-3-2-5-15-7-9)12-16-6-4-10(17-12)11(13)14/h2-7H,8H2,1H3,(H3,13,14).
What are the key properties of 2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide?
2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide has a molecular weight of 242.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).